Cyclopropa[d]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl-, (1aS,2S,4aS,8aS)-

Base Information

• Chemical Name: Cyclopropa[d]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl-, (1aS,2S,4aS,8aS)-
• CAS No.: 25966-79-4
• Molecular Formula: C15H24 O
• Molecular Weight: 220.355
• European Community (EC) Number: 247-381-1
• DSSTox Substance ID: DTXSID70885321
• Nikkaji Number: J308.363B
• Mol file: 25966-79-4.mol

Synonyms:3-thujopsanone

Chemical Property of Cyclopropa[d]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl-, (1aS,2S,4aS,8aS)-

Chemical Property:

• Boiling Point: 286.8°Cat760mmHg
• Flash Point: 119.7°C
• PSA: 17.07000
• Density: 1g/cm³
• LogP: 3.81800
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC23C(CCCC3(CC1=O)C)(C)C
• Isomeric SMILES: C[C@H]1[C@@H]2C[C@]23[C@@](CCCC3(C)C)(CC1=O)C

Technology Process of Cyclopropa[d]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl-, (1aS,2S,4aS,8aS)-

There total 6 articles about Cyclopropa[d]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl-, (1aS,2S,4aS,8aS)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

thujopsene (470-40-6) → 3-thujopsanone (25966-79-4) + 4,7,11,11-tetramethyltricyclo[5.4.0.01,3]undecan-5-one (25966-81-8)

Guidance literature:

With monoperoxyphthalic acid; In diethyl ether; at 5 ℃; for 120h;

DOI:10.1023/A:1012328407347

Reference yield:

thujopsene (470-40-6) → 3-thujopsanone (25966-79-4)

Guidance literature:

With peracetic acid; sodium acetate;

DOI:10.1002/hlca.19700530321

Reference yield:

(-)-Δ2(12)-Thujopsen-3α-ol (24703-25-1) → 3-thujopsanone (25966-79-4)

Guidance literature:

With toluene-4-sulfonic acid; In benzene;

DOI:10.1002/hlca.19700530321

upstream raw materials:

thujopsene

(-)-Δ²⁽¹²⁾-Thujopsen-3α-ol

Refernces

• 1、 Yarovaya,Polovinka,Korchagina,Gatilov,Bagryanskaya,Shcherbukhin,Shal'ko,Zenkovets,Barkhash. "Acid-catalyzed rearrangements of (-)-thujopsene". . p. 362 - 374. Retrieved 2007/10/03.